4-[5-[(3-chloranyl-4-methyl-quinolin-2-yl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine

Systemtic Name: 4-[5-[(3-chloranyl-4-methyl-quinolin-2-yl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine Openeye Name: 4-[5-[(3-chloro-4-methyl-2-quinolyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine CAS Name: 4-[5-[(3-chloro-4-methyl-2-quinolinyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]morpholine IUPAC Name: 4-[5-[(3-chloro-4-methylquinolin-2-yl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine Traditional Name: 4-[5-[(3-chloro-4-methyl-2-quinolyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]morpholine Formula: C23H22ClN5OS MolecularWeight: 451.97168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3C4=CC=CC=C4)N5CCOCC5)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3C4=CC=CC=C4)N5CCOCC5)Cl

InChI

InChI=1S/C23H22ClN5OS/c1-16-18-9-5-6-10-19(18)25-20(21(16)24)15-31-23-27-26-22(28-11-13-30-14-12-28)29(23)17-7-3-2-4-8-17/h2-10H,11-15H2,1H3